N-[4-chloro-3-(propanoylamino)phenyl]butanamide

C13H17ClN2O2 — CID 2411856

IUPACN-[4-chloro-3-(propanoylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-5-13(18)15-9-6-7-10(14)11(8-9)16-12(17)4-2/h6-8H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVAMGESIAWYIDRY-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.43
Rot. Bonds5

About N-[4-chloro-3-(propanoylamino)phenyl]butanamide

N-[4-chloro-3-(propanoylamino)phenyl]butanamide (PubChem CID 2411856) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[4-chloro-3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(propanoylamino)phenyl]butanamide
PubChem CID2411856
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[4-chloro-3-(propanoylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1
InChIInChI=1S/C13H17ClN2O2/c1-3-5-13(18)15-9-6-7-10(14)11(8-9)16-12(17)4-2/h6-8H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVAMGESIAWYIDRY-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
Monalide
CID 23715
p-Chloroacetoacetanilide
CID 7587
Acetoacetyl-2-chloroanilide
CID 7156
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
o-Chloroacetanilide
CID 10777
Acetamide, N-(2,4,6-trichlorophenyl)-
CID 95872
Clibucaine
CID 65613
Acetamide, N-(4-chlorophenyl)-2-cyano-
CID 87269
Butanamide, N-(2,5-dichlorophenyl)-3-oxo-
CID 74890
N,N'-(2-Chloro-1,4-phenylene)bis(3-oxobutaneamide)
CID 793871

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(propanoylamino)phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-(propanoylamino)phenyl]butanamide (CID 2411856) is N-[4-chloro-3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-(propanoylamino)phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1.
What is the InChIKey of N-[4-chloro-3-(propanoylamino)phenyl]butanamide?
The InChIKey is VAMGESIAWYIDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-5-13(18)15-9-6-7-10(14)11(8-9)16-12(17)4-2/h6-8H,3-5H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[4-chloro-3-(propanoylamino)phenyl]butanamide?
N-[4-chloro-3-(propanoylamino)phenyl]butanamide has a molecular weight of 268.74 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 2411856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).